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Chemical ID: 4774153
Chemical ID:
4774153
Name [?]:
1,2,3,3-tetramethyl-6-(trifluoromethyl)indole
SMILES [?]:
CC1=[N+](c2cc(ccc2C1(C)C)C(F)(F)F)C
InChi [?]:
InChI=1/C13H15F3N/c1-8-12(2,3)10-6-5-9(13(14,15)16)7-11(10)17(8)4/h5-7H,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,11,12,17,7,8,5,2,6,9,4,10,13,14,15,16,3/E:(2,3)(14,15,16)/CRV:17+1/rA:17nCCN+CCCCCCCCCCFFFC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s10;s6;s13;s13;s13;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15F3N+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.868 |
Area: | 384.095 |
Solvation: | -28.4704 |
Coulombic: | 3.62934 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 242.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.2 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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